Geometry & MOs

Info

ID:	210666
PubChem CID:	80836764
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	49.34
Dipole, Da:	4.08
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC

DOS

IR

Vibrations